4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen

C19H31N3O3 — CID 171562959

IUPAC4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen
SMILESCCc1ccc(OC)c(OC)c1.Cc1ccccc1NCC(=O)NN.[H][H].[H][H]
InChIInChI=1S/C10H14O2.C9H13N3O.2H2/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-7-4-2-3-5-8(7)11-6-9(13)12-10;;/h5-7H,4H2,1-3H3;2-5,11H,6,10H2,1H3,(H,12,13);2*1H
InChIKeyZSNJZQJYCFIUEY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.16
Rot. Bonds6

About 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen

4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen (PubChem CID 171562959) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen.

Molecular Properties

Compound Name4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen
PubChem CID171562959
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen
SMILESCCc1ccc(OC)c(OC)c1.Cc1ccccc1NCC(=O)NN.[H][H].[H][H]
InChIInChI=1S/C10H14O2.C9H13N3O.2H2/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-7-4-2-3-5-8(7)11-6-9(13)12-10;;/h5-7H,4H2,1-3H3;2-5,11H,6,10H2,1H3,(H,12,13);2*1H
InChIKeyZSNJZQJYCFIUEY-UHFFFAOYSA-N
XLogP3.16
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylanilino)acetohydrazide
CID 730478
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248
N-(5-ethyl-2-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110604050
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
CID 164870346
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 2876719

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen?
The IUPAC name of 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen (CID 171562959) is 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen.
What is the SMILES notation for 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen?
The canonical SMILES for 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen is CCc1ccc(OC)c(OC)c1.Cc1ccccc1NCC(=O)NN.[H][H].[H][H].
What is the InChIKey of 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen?
The InChIKey is ZSNJZQJYCFIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C9H13N3O.2H2/c1-4-8-5-6-9(11-2)10(7-8)12-3;1-7-4-2-3-5-8(7)11-6-9(13)12-10;;/h5-7H,4H2,1-3H3;2-5,11H,6,10H2,1H3,(H,12,13);2*1H.
What are the key properties of 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen?
4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen has a molecular weight of 349.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen is sourced from PubChem (CID 171562959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).